Special Topics Now Online

Computational Materials Discovery | From Atom-Precise Nanoclusters to Superatom Materials View in Browser SUBMIT AN ARTICLE MANAGE MY ALERTS ABOUT THE JOURNAL The Journal of Chemical Physics Special Topic Collections Now Online Capturing new insights into emerging areas, our Special Topics are collections of invited and contributed papers curated by teams of Guest Editors who are experts in the field. Below are selected papers from recently published Special Topic collections. Computational Materials Discovery ALL ARTICLES > This Special Issue showcases advances in methods used to discover and design new materials, and illustrates their applications towards energy, quantum, structural, and 2D materials, as well as molecular crystals, MOFs, and more. Guest Editors: Eva Zurek, Noa Marom, and Johannes Hachmann   JCP Editors: David Manolopoulos, Todd Martínez, Angelos Michaelides, and David Sherrill  EDITORIAL Computational materials discovery Josiah Roberts, Eva Zurek READ MORE > ARTICLES Utilization of machine learning to accelerate colloidal synthesis and discovery Anthony Y. Fong, Lenson Pellouchoud, Malcolm Davidson, Richard C. Walroth, et al. READ MORE > Uncertainty estimation for molecular dynamics and sampling Giulio Imbalzano, Yongbin Zhuang, Venkat Kapil, Kevin Rossi, et al. READ MORE > Ab initio random structure searching for battery cathode materials Ziheng Lu, Bonan Zhu, Benjamin W. B. Shires, David O. Scanlon, et al. READ MORE > Machine learning of free energies in chemical compound space using ensemble representations: Reaching experimental uncertainty for solvation Jan Weinreich, Nicholas J. Browning, O. Anatole von Lilienfeld READ MORE > From Atom-Precise Nanoclusters to Superatom Materials ALL ARTICLES > This Special Topic covers recent advances in the emerging fields of atom-precise nanoclusters and cluster-assembled materials. The unique chemical and physical properties of atom-precise nanoclusters have been widely studied and is one focus of this collection. The second focus is on the assembly of these superatoms into crystalline materials. The collection also includes advanced experimental and theoretical methods related to atom-precise nanoclusters and superatom materials, such as HRTEM, synchrotron-based spectroscopy, gas-phase spectroscopy, and computational approach based on machine-learning. Guest Editors: Christine Aikens, Rongchao Jin, Xavier Roy, and Tatsuya Tsukua  JCP Associate Editors: Lai-Sheng Wang and Xiaoyang Zhu  EDITORIAL From atom-precise nanoclusters to superatom materials Christine M. Aikens, Rongchao Jin, Xavier Roy, Tatsuya Tsukuda READ MORE > COMMUNICATION Ligand removal of Au25 nanoclusters by thermal and electrochemical treatments for selective CO2 electroreduction to CO Shouping Chen, Mufan Li, Sunmoon Yu, Sheena Louisia, et al. READ MORE > ARTICLES Toward quantitative electronic structure in small gold nanoclusters Jonathan W. Fagan, K. L. Dimuthu M. Weerawardene, Anthony Cirri, Christine M. Aikens, et al. READ MORE > Tuning the interfacial stoichiometry of InP core and InP/ZnSe core/shell quantum dots Nayon Park, Forrest W. Eagle, Asher J. DeLarme, Madison Monahan, et al. READ MORE > Doping effect on the structure and properties of eight-electron silver nanoclusters Yu-Jie Zhong, Jian-Hong Liao, Tzu-Hao Chiu, Franck Gam, et al. READ MORE > Share on your social channels Follow us on social media   Copyright © 2022 AIP Publishing. All rights reserved. 1305 Walt Whitman Rd., Melville, NY 11747 You are receiving this email because you have opted-in to receive alerts from us. To guarantee delivery of this email please add journals@aip-info.org to your address book and safe senders list. If you no longer wish to receive emails from us then please unsubscribe or amend your settings.